3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene

C27H36 — CID 169030071

IUPAC3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene
SMILESCC(C)(C)c1ccc2c(c1)-c1cc3c(cc1C2(C)C)C(C)(C)CCC3(C)C
InChIInChI=1S/C27H36/c1-24(2,3)17-10-11-20-18(14-17)19-15-22-23(16-21(19)27(20,8)9)26(6,7)13-12-25(22,4)5/h10-11,14-16H,12-13H2,1-9H3
InChIKeyBYSCCFGBOZZIMD-UHFFFAOYSA-N
MW360.59 g/mol
LogP7.64
Rot. Bonds

About 3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene

3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene (PubChem CID 169030071) has the molecular formula C27H36 and a molecular weight of 360.59 g/mol. Its IUPAC name is 3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene.

Molecular Properties

Compound Name3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene
PubChem CID169030071
Molecular FormulaC27H36
Molecular Weight360.59 g/mol
Exact Mass360.28
IUPAC Name3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene
SMILESCC(C)(C)c1ccc2c(c1)-c1cc3c(cc1C2(C)C)C(C)(C)CCC3(C)C
InChIInChI=1S/C27H36/c1-24(2,3)17-10-11-20-18(14-17)19-15-22-23(16-21(19)27(20,8)9)26(6,7)13-12-25(22,4)5/h10-11,14-16H,12-13H2,1-9H3
InChIKeyBYSCCFGBOZZIMD-UHFFFAOYSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.59
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene?
The IUPAC name of 3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene (CID 169030071) is 3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene.
What is the SMILES notation for 3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene?
The canonical SMILES for 3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene is CC(C)(C)c1ccc2c(c1)-c1cc3c(cc1C2(C)C)C(C)(C)CCC3(C)C.
What is the InChIKey of 3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene?
The InChIKey is BYSCCFGBOZZIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36/c1-24(2,3)17-10-11-20-18(14-17)19-15-22-23(16-21(19)27(20,8)9)26(6,7)13-12-25(22,4)5/h10-11,14-16H,12-13H2,1-9H3.
What are the key properties of 3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene?
3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene has a molecular weight of 360.59 g/mol, XLogP of 7.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluorene is sourced from PubChem (CID 169030071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).